3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

C9H15F3N4 — CID 66016040

IUPAC3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4/c1-3-6-7(13)8(16(2)15-6)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyJTXBYBUDMPHLLK-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.93
Rot. Bonds4

About 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 66016040) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID66016040
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4/c1-3-6-7(13)8(16(2)15-6)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyJTXBYBUDMPHLLK-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 66016040) is 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is CCc1nn(C)c(NCCC(F)(F)F)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is JTXBYBUDMPHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-3-6-7(13)8(16(2)15-6)14-5-4-9(10,11)12/h14H,3-5,13H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 236.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66016040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).